CID 45090631

3-fluoro-6-methyl-2-nitropyridine

Structural Information

Molecular Formula
C6H5FN2O2
SMILES
CC1=NC(=C(C=C1)F)[N+](=O)[O-]
InChI
InChI=1S/C6H5FN2O2/c1-4-2-3-5(7)6(8-4)9(10)11/h2-3H,1H3
InChIKey
GJGUXNSOQFTBGB-UHFFFAOYSA-N
Compound name
3-fluoro-6-methyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03351 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04079 124.9
[M+Na]+ 179.02273 134.4
[M-H]- 155.02623 126.8
[M+NH4]+ 174.06733 144.2
[M+K]+ 194.99667 129.0
[M+H-H2O]+ 139.03077 122.7
[M+HCOO]- 201.03171 149.4
[M+CH3COO]- 215.04736 171.2
[M+Na-2H]- 177.00818 133.8
[M]+ 156.03296 122.8
[M]- 156.03406 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe